Effect of Impregnation on the Structure of Niobium Oxide/Alumina Catalysts Studied by Multinuclear Solid-State NMR, FTIR, and Quantum Chemical Calculations | Sciact - CRIS-система Института катализа

Effect of Impregnation on the Structure of Niobium Oxide/Alumina Catalysts Studied by Multinuclear Solid-State NMR, FTIR, and Quantum Chemical Calculations Научная публикация

Журнал

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Вых. Данные

Год: 2015, Том: 119, Номер: 19, Страницы: 10400-10411 Страниц : 12 DOI: 10.1021/acs.jpcc.5b01616

Ключевые слова

Alumina; Aluminum; Calculations; Catalysts; Crystal structure; Fourier transform infrared spectroscopy; Impregnation; Niobium; Niobium oxide; Nuclear magnetic resonance spectroscopy; Quantum chemistry; Quantum theory; Spectroscopic analysis

Авторы

Papulovskiy Evgeniy ^1,2 , Khabibulin Dzhalil F. ^1,2 , Terskikh Victor V. ³ , Paukshtis Eugene A. ^1,2,4 , Bondareva Valentina M. ¹ , Shubin Aleksandr A. ^1,2 , Andreev Andrey S. ^1,2 , Lapina Olga ^1,2

Организации

1	Boreskov Institute of Catalysis, 630090 Novosibirsk, Russia
2	Novosibirsk State University, 630090 Novosibirsk, Russia
3	Department of Chemistry, University of Ottawa, Ottawa, Ontario Canada K1N6N5
4	Tomsk State University, 634050 Tomsk, Russia

Информация о финансировании (3)

1	Федеральное агентство научных организаций России	V.44.1.17. (0303-2014-0003)
2	Федеральное агентство научных организаций России	V.44.1.2.2
3	Российский фонд фундаментальных исследований	13-03-00482

Multinuclear solid-state 1H, 27Al, and 93Nb NMR experiments and DFT calculations were carried out for structural characterization of alumina-supported niobium oxide catalysts with high niobium content following an every stage in the catalyst preparation. It was found that the first stage of the impregnation procedure plays a key role in determining the catalyst structure and acidity. In order to monitor the presence in catalysts of aluminum niobate phase, AlNbO4, a series of 27Al and 93Nb NMR experiments was performed for several different individual AlNbO4 samples. Aluminum and niobium NMR parameters were determined for AlNbO4, which crystal structure contains two different crystallographic sites for each element. The compound was investigated through a combination of experimental 93Nb and 27Al NMR spectroscopy methods at several magnetic field strengths (9.4, 11.7, 19.4, and 21.1) and complemented by ab initio quantum chemical calculations of NMR parameters for these nuclei. The chemical hielding and the quadrupole coupling tensor parameters were determined for both 93Nb and 27Al.

Papulovskiy E. , Khabibulin D.F. , Terskikh V.V. , Paukshtis E.A. , Bondareva V.M. , Shubin A.A. , Andreev A.S. , Lapina O.
Effect of Impregnation on the Structure of Niobium Oxide/Alumina Catalysts Studied by Multinuclear Solid-State NMR, FTIR, and Quantum Chemical Calculations
The Journal of Physical Chemistry C. 2015. V.119. N19. P.10400-10411. DOI: 10.1021/acs.jpcc.5b01616 WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	17 февр. 2015 г.
Опубликована в печати:	14 мая 2015 г.

Web of science:	WOS:000354912200028
Scopus:	2-s2.0-84929352981
РИНЦ:	24032846
Chemical Abstracts:	2015:688441
Chemical Abstracts (print):	162:611036
OpenAlex:	W2334937002

БД	Цитирований
Web of science	6
Scopus	8
РИНЦ	7
OpenAlex	11